SCHEMBL9060909

SCHEMBL9060909

NC(=O)N(O)C1C=C(c2ccc(OCc3ccccc3)cc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.49
PARP10 Q53GL7 1/20 0.49
KCNH2 Q12809 1/20 0.46
RAB9A P51151 2/20 0.45
NPC1 O15118 1/20 0.45
NR4A1 P22736 1/20 0.45
NR4A2 P43354 1/20 0.45
NR4A3 Q92570 1/20 0.45
S1PR5 Q9H228 1/20 0.44
PTGS1 P23219 1/20 0.44
PTGS2 P35354 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9059691 0.89 KCNH2 (0.46) KCNH2NR4A2
SCHEMBL9060091 0.84 MAOB (0.46) PARP10KCNH2NR4A2
SCHEMBL9059477 0.79 PPARD (0.40) PARP10
SCHEMBL27532209 0.75 ALOX5 (0.44) ALOX5KCNH2NPC1
SCHEMBL8707063 0.75 ALOX5 (0.44) ALOX5KCNH2NPC1
SCHEMBL9215265 0.72 LIPG (0.49)
SCHEMBL9491758 0.70 MAOA (0.47)
SCHEMBL9488819 0.70 FFAR1 (0.51)
SCHEMBL22534142 0.70 KCNH2 (0.50) PARP10KCNH2RAB9ANPC1NR4A1
SCHEMBL22534143 0.70 KCNH2 (0.50) PARP10KCNH2RAB9ANPC1NR4A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1996016054-A1 CYCLOALKENYL-N-HYDROXYUREAS PFIZER PHARMACEUTICALS INC. (JP) 1996-05-30 WO disclosed